4-[[4-azanyl-3-methyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-pyrimidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-azanyl-3-methyl-2,6-bis(oxidanylidene)-5-piperidin-1-yl-pyrimidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-amino-3-methyl-2,6-dioxo-5-(1-piperidyl)pyrimidin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-amino-3-methyl-2,6-dioxo-5-(1-piperidinyl)-1-pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[(4-amino-3-methyl-2,6-dioxo-5-piperidin-1-ylpyrimidin-1-yl)methyl]benzonitrile Traditional Name: 4-[(4-amino-2,6-diketo-3-methyl-5-piperidino-pyrimidin-1-yl)methyl]benzonitrile Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)CC2=CC=C(C=C2)C#N)N3CCCCC3)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)CC2=CC=C(C=C2)C#N)N3CCCCC3)N

InChI

InChI=1S/C18H21N5O2/c1-21-16(20)15(22-9-3-2-4-10-22)17(24)23(18(21)25)12-14-7-5-13(11-19)6-8-14/h5-8H,2-4,9-10,12,20H2,1H3